1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene

C10H14O2S2 — CID 2802745

IUPAC1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
SMILESCOc1cc(SC)c(OC)cc1SC
InChIInChI=1S/C10H14O2S2/c1-11-7-5-10(14-4)8(12-2)6-9(7)13-3/h5-6H,1-4H3
InChIKeyCJXKRKDHVGYORB-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.15
Rot. Bonds4

About 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene

1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene (PubChem CID 2802745) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
PubChem CID2802745
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
SMILESCOc1cc(SC)c(OC)cc1SC
InChIInChI=1S/C10H14O2S2/c1-11-7-5-10(14-4)8(12-2)6-9(7)13-3/h5-6H,1-4H3
InChIKeyCJXKRKDHVGYORB-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-4-methylsulfanylbenzonitrile
CID 117298733
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine
CID 115225488
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
5-methoxy-6-methylsulfanyl-1,3-benzodioxole
CID 123594562
3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanenitrile
CID 116927396
3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene
CID 164895356
4-iodo-1-methoxy-2-methylsulfanylbenzene
CID 164895361
3-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 116962826
N'-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-methylmethanediamine
CID 115226937
2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol
CID 116841207
N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide
CID 115191083

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene?
The IUPAC name of 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene (CID 2802745) is 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene.
What is the SMILES notation for 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene?
The canonical SMILES for 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene is COc1cc(SC)c(OC)cc1SC.
What is the InChIKey of 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene?
The InChIKey is CJXKRKDHVGYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-11-7-5-10(14-4)8(12-2)6-9(7)13-3/h5-6H,1-4H3.
What are the key properties of 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene?
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene has a molecular weight of 230.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene is sourced from PubChem (CID 2802745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).